(3,4-dihydroisoquinolin-2(1H)-yl)(1-{[(2S)-1-(propane-1-sulfonyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazol-4-yl)methanone
Chemical Structure Depiction of
(3,4-dihydroisoquinolin-2(1H)-yl)(1-{[(2S)-1-(propane-1-sulfonyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazol-4-yl)methanone
(3,4-dihydroisoquinolin-2(1H)-yl)(1-{[(2S)-1-(propane-1-sulfonyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazol-4-yl)methanone
Compound characteristics
| Compound ID: | SB20-0829 |
| Compound Name: | (3,4-dihydroisoquinolin-2(1H)-yl)(1-{[(2S)-1-(propane-1-sulfonyl)pyrrolidin-2-yl]methyl}-1H-1,2,3-triazol-4-yl)methanone |
| Molecular Weight: | 417.53 |
| Molecular Formula: | C20 H27 N5 O3 S |
| Smiles: | CCCS(N1CCC[C@H]1Cn1cc(C(N2CCc3ccccc3C2)=O)nn1)(=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.7581 |
| logD: | 1.7581 |
| logSw: | -2.2937 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 75.728 |
| InChI Key: | TVBMYFMHFMQFPH-SFHVURJKSA-N |